Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30234710

Structure

InChI Key DCLDCRBASITBMJ-UHFFFAOYSA-N
Smiles CCCCCCCCCCOP(=O)(OCCN)OCCN
InChI
InChI=1S/C14H33N2O4P/c1-2-3-4-5-6-7-8-9-12-18-21(17,19-13-10-15)20-14-11-16/h2-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H33N2O4P1
Molecular Weight 324.22
AlogP 3.2
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 96.8
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 85508-14-1
NORMAN SUSDAT
PubChem 3020760
ChemSpider 2287561.0